Open Babel
3.0
OpenBabel
OBConformerData
OBConformerData Member List
This is the complete list of members for
OBConformerData
, including all inherited members.
_attr
OBGenericData
protected
_source
OBGenericData
protected
_type
OBGenericData
protected
_vData
OBConformerData
protected
_vDimension
OBConformerData
protected
_vDisplace
OBConformerData
protected
_vEnergies
OBConformerData
protected
_vForces
OBConformerData
protected
_vVelocity
OBConformerData
protected
Clone
(OBBase *) const
OBConformerData
inline
virtual
GetAttribute
() const
OBGenericData
inline
virtual
GetData
()
OBConformerData
inline
GetDataType
() const
OBGenericData
inline
GetDimension
()
OBConformerData
inline
GetDisplacements
()
OBConformerData
inline
GetEnergies
()
OBConformerData
inline
GetForces
()
OBConformerData
inline
GetOrigin
() const
OBGenericData
inline
virtual
GetValue
() const
OBGenericData
inline
virtual
GetVelocities
()
OBConformerData
inline
OBConformerData
()
OBConformerData
OBConformerData
(const OBConformerData &)
OBConformerData
OBGenericData
(const std::string attr="undefined", const unsigned int type=OBGenericDataType::UndefinedData, const DataOrigin source=any)
OBGenericData
operator=
(const OBConformerData &)
OBConformerData
SetAttribute
(const std::string &v)
OBGenericData
inline
SetData
(std::vector< std::string > vdat)
OBConformerData
inline
SetDimension
(std::vector< unsigned short > vd)
OBConformerData
inline
SetDisplacements
(std::vector< std::vector< vector3 > > vd)
OBConformerData
inline
SetEnergies
(std::vector< double > ve)
OBConformerData
inline
SetForces
(std::vector< std::vector< vector3 > > vf)
OBConformerData
inline
SetOrigin
(const DataOrigin s)
OBGenericData
inline
SetVelocities
(std::vector< std::vector< vector3 > > vv)
OBConformerData
inline
~OBConformerData
()
OBConformerData
inline
~OBGenericData
()
OBGenericData
inline
virtual
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